Geometry & MOs

Info

ID:	443307
PubChem CID:	135258508
Reduced:	OF3N5C29H52 (1)
Stoich.:	AB3C5D29E52 (1)
Weight, g/mol:	582.051605
ΔH_f, kcal/mol:	-231.96
Dipole, Da:	4.72
IP(EA), eV:	-8.29(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCCOCC(C)(CC1=CC(=CC(=C1)N2CCN(CC2)C(C)(C)C)C(F)(F)F)NCCN(C)C

DOS

IR

Vibrations